2,15,18-trimethylhentriacontane

C34H70 — CID 90944921

IUPAC2,15,18-trimethylhentriacontane
SMILESCCCCCCCCCCCCCC(C)CCC(C)CCCCCCCCCCCCC(C)C
InChIInChI=1S/C34H70/c1-6-7-8-9-10-11-12-16-19-22-25-28-33(4)30-31-34(5)29-26-23-20-17-14-13-15-18-21-24-27-32(2)3/h32-34H,6-31H2,1-5H3
InChIKeySBUIQEMCZKBKNU-UHFFFAOYSA-N
MW478.93 g/mol
LogP13.08
Rot. Bonds28

About 2,15,18-trimethylhentriacontane

2,15,18-trimethylhentriacontane (PubChem CID 90944921) has the molecular formula C34H70 and a molecular weight of 478.93 g/mol. Its IUPAC name is 2,15,18-trimethylhentriacontane.

Molecular Properties

Compound Name2,15,18-trimethylhentriacontane
PubChem CID90944921
Molecular FormulaC34H70
Molecular Weight478.93 g/mol
Exact Mass478.55
IUPAC Name2,15,18-trimethylhentriacontane
SMILESCCCCCCCCCCCCCC(C)CCC(C)CCCCCCCCCCCCC(C)C
InChIInChI=1S/C34H70/c1-6-7-8-9-10-11-12-16-19-22-25-28-33(4)30-31-34(5)29-26-23-20-17-14-13-15-18-21-24-27-32(2)3/h32-34H,6-31H2,1-5H3
InChIKeySBUIQEMCZKBKNU-UHFFFAOYSA-N
XLogP13.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.93
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,44-dimethyltripentacontane
CID 123367078
2,10,16-trimethyloctacosane
CID 91748811
2,8-dimethylhexacosane
CID 91748840
2,6-dimethyltridecane
CID 524061
2,6-dimethylicosane
CID 54262109
2,6-dimethyltriacontane
CID 526581
2,6,10-trimethyldocosane
CID 175986851
2,6,10,14,19-pentamethyltetracosane
CID 6428632
2,6-dimethylundecane
CID 28453
11,14-dimethylhexacosane
CID 86148083
2-methyloctane;4-methyloctane;nonane
CID 160563952
5,8,18,24-tetramethylhentriacontane
CID 6430103

Frequently Asked Questions

What is the IUPAC name of 2,15,18-trimethylhentriacontane?
The IUPAC name of 2,15,18-trimethylhentriacontane (CID 90944921) is 2,15,18-trimethylhentriacontane.
What is the SMILES notation for 2,15,18-trimethylhentriacontane?
The canonical SMILES for 2,15,18-trimethylhentriacontane is CCCCCCCCCCCCCC(C)CCC(C)CCCCCCCCCCCCC(C)C.
What is the InChIKey of 2,15,18-trimethylhentriacontane?
The InChIKey is SBUIQEMCZKBKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70/c1-6-7-8-9-10-11-12-16-19-22-25-28-33(4)30-31-34(5)29-26-23-20-17-14-13-15-18-21-24-27-32(2)3/h32-34H,6-31H2,1-5H3.
What are the key properties of 2,15,18-trimethylhentriacontane?
2,15,18-trimethylhentriacontane has a molecular weight of 478.93 g/mol, XLogP of 13.08, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,15,18-trimethylhentriacontane is sourced from PubChem (CID 90944921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).